1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine

C26H39F3N2 — CID 142475098

IUPAC1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C26H39F3N2/c1-20(2)18-24(31-16-12-23(13-17-31)30-14-6-5-7-15-30)19-25(3,4)21-8-10-22(11-9-21)26(27,28)29/h8-11,18,23-24H,5-7,12-17,19H2,1-4H3
InChIKeyQPLVKGBOUCBXSL-UHFFFAOYSA-N
MW436.61 g/mol
LogP6.66
Rot. Bonds6

About 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine

1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine (PubChem CID 142475098) has the molecular formula C26H39F3N2 and a molecular weight of 436.61 g/mol. Its IUPAC name is 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine
PubChem CID142475098
Molecular FormulaC26H39F3N2
Molecular Weight436.61 g/mol
Exact Mass436.31
IUPAC Name1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C26H39F3N2/c1-20(2)18-24(31-16-12-23(13-17-31)30-14-6-5-7-15-30)19-25(3,4)21-8-10-22(11-9-21)26(27,28)29/h8-11,18,23-24H,5-7,12-17,19H2,1-4H3
InChIKeyQPLVKGBOUCBXSL-UHFFFAOYSA-N
XLogP6.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.61
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine
CID 159086493
1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine
CID 142475283
1-[2,6-dimethyl-6-(4-piperidin-1-ylphenyl)hept-2-en-4-yl]-4-(3-methoxypropyl)piperidine
CID 158385109
1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine
CID 142475394
1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine
CID 167693962
cyclopropyl-[4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazin-1-yl]methanone;ethane
CID 163403193
1-[2,6-dimethyl-6-[4-(2-methylbutan-2-yloxy)phenyl]hept-2-en-4-yl]piperidin-4-ol;ethane
CID 163403270
1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(3-pyrrolidin-1-ylphenyl)piperidine
CID 158792261
[4-butyl-1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl] 3-methylbutanoate
CID 159903334
4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 27267003
[(2R)-1-[(4S)-6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]pyrrolidin-2-yl]methanol
CID 170659392
2-[4-(1,1-difluoroethyl)phenyl]-6-methyl-4-(4-pent-1-en-2-ylpiperidin-1-yl)hept-5-en-2-amine
CID 165134925

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine (CID 142475098) is 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine is CC(C)=CC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine?
The InChIKey is QPLVKGBOUCBXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39F3N2/c1-20(2)18-24(31-16-12-23(13-17-31)30-14-6-5-7-15-30)19-25(3,4)21-8-10-22(11-9-21)26(27,28)29/h8-11,18,23-24H,5-7,12-17,19H2,1-4H3.
What are the key properties of 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine?
1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine has a molecular weight of 436.61 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 142475098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).